N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide

C35H45N5O5 — CID 170729318

About N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide

N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide (PubChem CID 170729318) has the molecular formula C35H45N5O5 and a molecular weight of 615.78 g/mol. Its IUPAC name is N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide.

Molecular Properties

• Compound Name: N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
• PubChem CID: 170729318
• Molecular Formula: C35H45N5O5
• Molecular Weight: 615.78 g/mol
• Exact Mass: 615.34
• IUPAC Name: N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
• SMILES: CCCC(C(=O)NC=O)N1Cc2c(ccc3c2OCC2CN(CC4CCC5(CCN(c6ccccc6)CC5)OC4)CCN32)C1=O
• InChI: InChI=1S/C35H45N5O5/c1-2-6-31(33(42)36-24-41)40-21-29-28(34(40)43)9-10-30-32(29)44-23-27-20-37(17-18-39(27)30)19-25-11-12-35(45-22-25)13-15-38(16-14-35)26-7-4-3-5-8-26/h3-5,7-10,24-25,27,31H,2,6,11-23H2,1H3,(H,36,41,42)
• InChIKey: CHRKMUWDVNSSRT-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 94.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.78
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?

The IUPAC name of N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide (CID 170729318) is N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide.

What is the SMILES notation for N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?

The canonical SMILES for N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide is CCCC(C(=O)NC=O)N1Cc2c(ccc3c2OCC2CN(CC4CCC5(CCN(c6ccccc6)CC5)OC4)CCN32)C1=O.

What is the InChIKey of N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?

The InChIKey is CHRKMUWDVNSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O5/c1-2-6-31(33(42)36-24-41)40-21-29-28(34(40)43)9-10-30-32(29)44-23-27-20-37(17-18-39(27)30)19-25-11-12-35(45-22-25)13-15-38(16-14-35)26-7-4-3-5-8-26/h3-5,7-10,24-25,27,31H,2,6,11-23H2,1H3,(H,36,41,42).

What are the key properties of N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?

N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide has a molecular weight of 615.78 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-formyl-2-[14-oxo-5-[(9-phenyl-1-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide is sourced from PubChem (CID 170729318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).